N-butyl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide

C15H29N3O — CID 63259352

IUPACN-butyl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide
SMILESCCCCNC(=O)CN1CCC(C2CCCN2)CC1
InChIInChI=1S/C15H29N3O/c1-2-3-8-17-15(19)12-18-10-6-13(7-11-18)14-5-4-9-16-14/h13-14,16H,2-12H2,1H3,(H,17,19)
InChIKeyIEPXCHSEXSXXSQ-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.37
Rot. Bonds6

About N-butyl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide

N-butyl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide (PubChem CID 63259352) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-butyl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide
PubChem CID63259352
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-butyl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide
SMILESCCCCNC(=O)CN1CCC(C2CCCN2)CC1
InChIInChI=1S/C15H29N3O/c1-2-3-8-17-15(19)12-18-10-6-13(7-11-18)14-5-4-9-16-14/h13-14,16H,2-12H2,1H3,(H,17,19)
InChIKeyIEPXCHSEXSXXSQ-UHFFFAOYSA-N
XLogP1.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetyl]amino]butanoic acid
CID 63259654
N-propan-2-yl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide
CID 63259652
4-[[2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetyl]amino]butanoic acid
CID 60978691
N-(methylcarbamoyl)-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide
CID 63259478
1-pentyl-4-pyrrolidin-2-ylpiperidine
CID 63255578
N-butyl-3-pyrrolidin-2-ylpiperidine-1-carboxamide
CID 54886147
N-butyl-2-pyrrolidin-1-ylacetamide
CID 110687965
1-decyl-4-pyrrolidin-2-ylpiperidine
CID 63404665
methyl 4-[[2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)acetyl]amino]butanoate
CID 102682053
2-(4-methylpiperidin-1-yl)-N-pentylacetamide
CID 108993711
N-butyl-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63847877
N-(furan-2-ylmethyl)-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide
CID 63257535

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide?
The IUPAC name of N-butyl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide (CID 63259352) is N-butyl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-butyl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide?
The canonical SMILES for N-butyl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide is CCCCNC(=O)CN1CCC(C2CCCN2)CC1.
What is the InChIKey of N-butyl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide?
The InChIKey is IEPXCHSEXSXXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-2-3-8-17-15(19)12-18-10-6-13(7-11-18)14-5-4-9-16-14/h13-14,16H,2-12H2,1H3,(H,17,19).
What are the key properties of N-butyl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide?
N-butyl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide has a molecular weight of 267.42 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide is sourced from PubChem (CID 63259352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).